4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol

C106H125N41O5 — CID 158372781

About 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol

4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol (PubChem CID 158372781) has the molecular formula C106H125N41O5 and a molecular weight of 2053.45 g/mol. Its IUPAC name is 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol.

Molecular Properties

• Compound Name: 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol
• PubChem CID: 158372781
• Molecular Formula: C106H125N41O5
• Molecular Weight: 2053.45 g/mol
• Exact Mass: 2052.08
• IUPAC Name: 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol
• SMILES: CC(C)(O)[C@@H](O)c1ccc(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)cc1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@H]6CNCCO6)c5)n4)CC3)nc2)cc1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@H]6COCCN6)c5)n4)CC3)nc2)cc1
• InChI: InChI=1S/C28H32N8O2.3C26H31N11O/c1-28(2,38)24(37)22-8-10-23(11-9-22)33-25-31-19-32-27(34-25)36-14-12-35(13-15-36)26-29-17-21(18-30-26)16-20-6-4-3-5-7-20;2*1-2-4-20(5-3-1)12-21-13-28-25(29-14-21)35-7-9-36(10-8-35)26-31-19-30-24(34-26)33-22-15-32-37(17-22)18-23-16-27-6-11-38-23;1-2-4-20(5-3-1)12-21-13-28-25(29-14-21)35-7-9-36(10-8-35)26-31-19-30-24(34-26)33-22-15-32-37(16-22)17-23-18-38-11-6-27-23/h3-11,17-19,24,37-38H,12-16H2,1-2H3,(H,31,32,33,34);2*1-5,13-15,17,19,23,27H,6-12,16,18H2,(H,30,31,33,34);1-5,13-16,19,23,27H,6-12,17-18H2,(H,30,31,33,34)/t24-;3*23-/m0100/s1
• InChIKey: GUUZPRHDCCNOHR-UBUWTYQKSA-N
• XLogP: 7.65
• TPSA: 489.54 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 46
• Rotatable Bonds: 32
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2053.45
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol?

The IUPAC name of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol (CID 158372781) is 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol.

What is the SMILES notation for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol?

The canonical SMILES for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol is CC(C)(O)[C@@H](O)c1ccc(Nc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)n2)cc1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@H]6CNCCO6)c5)n4)CC3)nc2)cc1.c1ccc(Cc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@H]6COCCN6)c5)n4)CC3)nc2)cc1.

What is the InChIKey of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol?

The InChIKey is GUUZPRHDCCNOHR-UBUWTYQKSA-N. The full InChI is InChI=1S/C28H32N8O2.3C26H31N11O/c1-28(2,38)24(37)22-8-10-23(11-9-22)33-25-31-19-32-27(34-25)36-14-12-35(13-15-36)26-29-17-21(18-30-26)16-20-6-4-3-5-7-20;2*1-2-4-20(5-3-1)12-21-13-28-25(29-14-21)35-7-9-36(10-8-35)26-31-19-30-24(34-26)33-22-15-32-37(17-22)18-23-16-27-6-11-38-23;1-2-4-20(5-3-1)12-21-13-28-25(29-14-21)35-7-9-36(10-8-35)26-31-19-30-24(34-26)33-22-15-32-37(16-22)17-23-18-38-11-6-27-23/h3-11,17-19,24,37-38H,12-16H2,1-2H3,(H,31,32,33,34);2*1-5,13-15,17,19,23,27H,6-12,16,18H2,(H,30,31,33,34);1-5,13-16,19,23,27H,6-12,17-18H2,(H,30,31,33,34)/t24-;3*23-/m0100/s1.

What are the key properties of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol?

4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol has a molecular weight of 2053.45 g/mol, XLogP of 7.65, 32 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(3S)-morpholin-3-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(1S)-1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-2-methylpropane-1,2-diol is sourced from PubChem (CID 158372781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).